Information card for entry 2210530

Structure parameters

• Chemical name: Ethyl 4-benzyloxycarbonyl-5-[2,2-bis(benzyloxycarbonyl)vinyl]- 3-methylpyrrole-2-carboxylate
• Formula: C34 H31 N O8
• Calculated formula: C34 H31 N O8
• SMILES: [nH]1c(c(c(c1/C=C(/C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C)C(=O)OCC
• Title of publication: Ethyl 4-benzyloxycarbonyl-5-[2,2-bis(benzyloxycarbonyl)vinyl]-3-methylpyrrole-2-carboxylate
• Authors of publication: Senge, Mathias O.; Smith, Kevin M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4660 - o4662
• a: 8.966 ± 0.003 Å
• b: 12.037 ± 0.003 Å
• c: 14.349 ± 0.004 Å
• α: 72.09 ± 0.02°
• β: 83.67 ± 0.02°
• γ: 82.02 ± 0.02°
• Cell volume: 1455.5 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes